The cross-rolling is a new process that results in significant evolutions in microstructure of the metallic sheets. In this study, an aluminium 1050 sheet was rolled up to 95% reduction in cross directions for ten passes. The rolled samples were investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The rolled samples possess a high dislocation density and ultra-fin...

Motivation: A popular approach for predicting RNA secondary structure is the thermodynamic nearest neighbor model that finds a thermodynamically most stable secondary structure with the minimum free energy (MFE). For further improvement, an alternative approach that is based on machine learning techniques has been developed. The machine learning based approach can employ a fine-grained model th...

The scattering of ultrasonic waves depends on the relation scatterer diameter to wavelength. Coarse grained materials and high frequency ultrasonic waves therefore ere exciting high scattering amplitudes. During pulseecho testing a backscattering signal is the result of superimposing all the single scattering processes in the sound beam for a given time of flight. Rectifying, digitizing and add...

The surface stress induced during the formation of alkanethiol self-assembled monolayers (SAMs) on gold from the vapor phase was measured using a micromechanical cantilever-based chemical sensor. Simultaneous in situ thickness measurements were carried out using ellipsometry. Ex situ scanning tunneling microscopy was performed in air to ascertain the final monolayer structure. The evolution of ...

Early Web search engines closely resembled Information Retrieval (IR) systems which had matured over several decades. Around 1996–1999, it became clear that the spontaneous formation of hyperlink communities in the Web graph had much to offer to Web search, leading to a flurry of research on hyperlink-based ranking of query responses. In this paper we show that, over and above inter-page hyperl...

Topic segmentation and labeling is often considered a prerequisite for higher-level conversation analysis and has been shown to be useful in many Natural Language Processing (NLP) applications. We present two new corpora of email and blog conversations annotated with topics, and evaluate annotator reliability for the segmentation and labeling tasks in these asynchronous conversations. We propos...

Given the demonstrated utility of coarse-grained modeling and simulations approaches in studying protein structure and dynamics, developing methods that allow experimental observables to be directly recovered from coarse-grained models is of great importance. In this work, we develop one such method that enables protein backbone chemical shifts (1HN, 1Hα, 13Cα, 13C, 13Cβ, and 15N) to be predict...

The accurate modeling of protein dynamics in crystalline states is essential for the development of computational techniques for simulating protein dynamics under physiological conditions. Following a previous coarse-grained modeling study of atomic fluctuations in protein crystal structures, we have refined our modeling with all-atom representation and force field. We have calculated the aniso...

Molecular fluctuations of the native conformation of c-AMP dependent protein kinase (cAPK) have been investigated with three different approaches. The first approach is the full atomic normal mode analysis (NMA) with empirical force fields. The second and third approaches are based on a coarse-grained model with a single single-parameter- harmonic potential between close residues in the crystal...

BACKGROUND Atomic level rotamer libraries for sidechains in proteins have been proposed by several groups. Conformations of side groups in coarse-grained models, on the other hand, have not yet been analyzed, although low resolution approaches are the only efficient way to explore global structural features. RESULTS A residue-specific backbone-dependent library for sidechain isomers, compatib...